CID 97658

4-fluoro-4'-nitrobenzophenone

Structural Information

Molecular Formula
C13H8FNO3
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
InChIKey
ICDAYOOBGHYICW-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

245.04883 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05611 148.7
[M+Na]+ 268.03805 163.2
[M+NH4]+ 263.08265 156.5
[M+K]+ 284.01199 159.1
[M-H]- 244.04155 152.8
[M+Na-2H]- 266.02350 157.4
[M]+ 245.04828 151.8
[M]- 245.04938 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe